1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide

C16H26IN3 — CID 111771191

IUPAC1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
SMILESCCc1ccccc1CN/C(=N\C)NC1CCCC1.I
InChIInChI=1S/C16H25N3.HI/c1-3-13-8-4-5-9-14(13)12-18-16(17-2)19-15-10-6-7-11-15;/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H2,17,18,19);1H
InChIKeyNXGKGTUBSMDWMW-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.47
Rot. Bonds4

About 1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide

1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 111771191) has the molecular formula C16H26IN3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
PubChem CID111771191
Molecular FormulaC16H26IN3
Molecular Weight387.31 g/mol
Exact Mass387.12
IUPAC Name1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
SMILESCCc1ccccc1CN/C(=N\C)NC1CCCC1.I
InChIInChI=1S/C16H25N3.HI/c1-3-13-8-4-5-9-14(13)12-18-16(17-2)19-15-10-6-7-11-15;/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H2,17,18,19);1H
InChIKeyNXGKGTUBSMDWMW-UHFFFAOYSA-N
XLogP3.47
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-[[N-[(2-ethylphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111635358
1-cyclopentyl-2-methyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110992460
1-[(2-ethylphenyl)methyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine
CID 109437467
1-cyclopentyl-3-[(2-cyclopentyloxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110989646
1-cyclopentyl-2-methyl-3-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 110989938
1-[(2-cyclobutyloxyphenyl)methyl]-3-cyclohexyl-2-methylguanidine
CID 111625898
1-cyclohexyl-3-[(2,4-dimethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110957079
1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968058
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 109388636
1-[(2-ethoxyphenyl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111255952
1-cyclopentyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111779634
1-cyclohexyl-2-methyl-3-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]guanidine
CID 110958255

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide (CID 111771191) is 1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide is CCc1ccccc1CN/C(=N\C)NC1CCCC1.I.
What is the InChIKey of 1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is NXGKGTUBSMDWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.HI/c1-3-13-8-4-5-9-14(13)12-18-16(17-2)19-15-10-6-7-11-15;/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of 1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide?
1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 387.31 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111771191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).